apset: Atom pairs stored in 'APset' object

apsetR Documentation

Atom pairs stored in APset object

Description

Atom pairs for 100 molecules stored in sdfsample.

Usage

data(apset)

Format

Object of class apset

Details

Object stores atom pairs of 100 molecules.

Source

apset <- sdf2ap(sdfsample)

References

Chen X and Reynolds CH (2002). "Performance of similarity measures in 2D fragment-based similarity searching: comparison of structural descriptors and similarity coefficients", J Chem Inf Comput Sci.

Examples

data(apset)
apset[1:4]
view(apset[1:4])

girke-lab/ChemmineR documentation built on July 28, 2023, 10:36 a.m.